N-[(2-oxo-3H-1,3-benzoxazol-7-yl)methyl]-2-(1,3-thiazol-5-yl)acetamide

C13H11N3O3S — CID 166339129

IUPACN-[(2-oxo-3H-1,3-benzoxazol-7-yl)methyl]-2-(1,3-thiazol-5-yl)acetamide
SMILESO=C(Cc1cncs1)NCc1cccc2[nH]c(=O)oc12
InChIInChI=1S/C13H11N3O3S/c17-11(4-9-6-14-7-20-9)15-5-8-2-1-3-10-12(8)19-13(18)16-10/h1-3,6-7H,4-5H2,(H,15,17)(H,16,18)
InChIKeyOYNPPKXEOQQCAE-UHFFFAOYSA-N
MW289.32 g/mol
LogP1.44
Rot. Bonds4

About N-[(2-oxo-3H-1,3-benzoxazol-7-yl)methyl]-2-(1,3-thiazol-5-yl)acetamide

N-[(2-oxo-3H-1,3-benzoxazol-7-yl)methyl]-2-(1,3-thiazol-5-yl)acetamide (PubChem CID 166339129) has the molecular formula C13H11N3O3S and a molecular weight of 289.32 g/mol. Its IUPAC name is N-[(2-oxo-3H-1,3-benzoxazol-7-yl)methyl]-2-(1,3-thiazol-5-yl)acetamide.

Molecular Properties

Compound NameN-[(2-oxo-3H-1,3-benzoxazol-7-yl)methyl]-2-(1,3-thiazol-5-yl)acetamide
PubChem CID166339129
Molecular FormulaC13H11N3O3S
Molecular Weight289.32 g/mol
Exact Mass289.05
IUPAC NameN-[(2-oxo-3H-1,3-benzoxazol-7-yl)methyl]-2-(1,3-thiazol-5-yl)acetamide
SMILESO=C(Cc1cncs1)NCc1cccc2[nH]c(=O)oc12
InChIInChI=1S/C13H11N3O3S/c17-11(4-9-6-14-7-20-9)15-5-8-2-1-3-10-12(8)19-13(18)16-10/h1-3,6-7H,4-5H2,(H,15,17)(H,16,18)
InChIKeyOYNPPKXEOQQCAE-UHFFFAOYSA-N
XLogP1.44
TPSA87.99 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.32
LogP ≤ 51.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1,3-thiazol-5-ylmethyl)-1H-indole-4-carboxamide
CID 104583473
2-hydroxy-N-(1,3-thiazol-5-ylmethyl)acetamide
CID 130927920
4-(1H-indol-3-yl)-N-(1,3-thiazol-5-ylmethyl)butanamide
CID 104579103
2-(2-chlorophenyl)-N-[2-(1,3-thiazol-5-yl)ethyl]acetamide
CID 110717557
2-(4-aminopyrazol-1-yl)-N-(2-oxo-3H-1,3-benzoxazol-7-yl)acetamide
CID 155962162
N-(2-oxo-3H-1,3-benzoxazol-7-yl)-2-(1H-pyrazol-5-yl)acetamide
CID 112522739
N-[(2-methylphenyl)methyl]-1,3-thiazole-5-carboxamide
CID 110850665
7-iodo-3H-1,3-benzoxazol-2-one
CID 130784539
6-chloro-N-(1,3-thiazol-5-ylmethyl)pyridine-2-carboxamide
CID 104579396
N-[2-[(1,3-thiazol-5-ylmethylamino)methyl]phenyl]acetamide
CID 115732622
7-[[(5-cyclopentyl-1,3,4-oxadiazol-2-yl)amino]methyl]-3H-1,3-benzoxazol-2-one
CID 138052378
7-[[[4-(trifluoromethyl)-1-bicyclo[2.2.2]octanyl]amino]methyl]-3H-1,3-benzoxazol-2-one
CID 167862393

Frequently Asked Questions

What is the IUPAC name of N-[(2-oxo-3H-1,3-benzoxazol-7-yl)methyl]-2-(1,3-thiazol-5-yl)acetamide?
The IUPAC name of N-[(2-oxo-3H-1,3-benzoxazol-7-yl)methyl]-2-(1,3-thiazol-5-yl)acetamide (CID 166339129) is N-[(2-oxo-3H-1,3-benzoxazol-7-yl)methyl]-2-(1,3-thiazol-5-yl)acetamide.
What is the SMILES notation for N-[(2-oxo-3H-1,3-benzoxazol-7-yl)methyl]-2-(1,3-thiazol-5-yl)acetamide?
The canonical SMILES for N-[(2-oxo-3H-1,3-benzoxazol-7-yl)methyl]-2-(1,3-thiazol-5-yl)acetamide is O=C(Cc1cncs1)NCc1cccc2[nH]c(=O)oc12.
What is the InChIKey of N-[(2-oxo-3H-1,3-benzoxazol-7-yl)methyl]-2-(1,3-thiazol-5-yl)acetamide?
The InChIKey is OYNPPKXEOQQCAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N3O3S/c17-11(4-9-6-14-7-20-9)15-5-8-2-1-3-10-12(8)19-13(18)16-10/h1-3,6-7H,4-5H2,(H,15,17)(H,16,18).
What are the key properties of N-[(2-oxo-3H-1,3-benzoxazol-7-yl)methyl]-2-(1,3-thiazol-5-yl)acetamide?
N-[(2-oxo-3H-1,3-benzoxazol-7-yl)methyl]-2-(1,3-thiazol-5-yl)acetamide has a molecular weight of 289.32 g/mol, XLogP of 1.44, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-oxo-3H-1,3-benzoxazol-7-yl)methyl]-2-(1,3-thiazol-5-yl)acetamide is sourced from PubChem (CID 166339129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).